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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005274.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9005274
loop_
_publ_author_name
'Gnos E'
'Armbruster T'
'Nyfeler D'
_publ_section_title
;
 Kanoite, donpeacorite and tirodite: Mn-Mg-silicates from a
 manganiferous quartzite in the United Arab Emirates
 Sample: pyroxene
 Locality: manganiferous quartzite in the United Arab Emirates
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              251
_journal_page_last               261
_journal_volume                  8
_journal_year                    1996
_chemical_formula_sum            'Ca0.07 Mg1.131 Mn0.799 O6 Si2'
_[local]_cod_chemical_formula_sum_orig 'Mg1.131 Mn.799 Ca.07 Si2 O6'
_chemical_name_mineral           Kanoite
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.53
_cell_angle_gamma                90
_cell_length_a                   9.725
_cell_length_b                   8.876
_cell_length_c                   5.263
_cell_volume                     430.746
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgM1 0.25052 0.65430 0.23390 0.97600 0.00470
MnM1 0.25052 0.65430 0.23390 0.02400 0.00470
CaM2 0.25369 0.02375 0.23236 0.07000 0.00930
MnM2 0.25369 0.02375 0.23236 0.77500 0.00930
MgM2 0.25369 0.02375 0.23236 0.15500 0.00930
SiA 0.04156 0.34113 0.27110 1.00000 0.00680
SiB 0.54704 0.83886 0.23890 1.00000 0.00710
O1A 0.86660 0.33715 0.16520 1.00000 0.00870
O1B 0.37200 0.83770 0.13400 1.00000 0.00890
O2A 0.11790 0.50200 0.32320 1.00000 0.01040
O2B 0.62420 0.99380 0.35910 1.00000 0.01220
O3A 0.10390 0.26080 0.57080 1.00000 0.01110
O3B 0.60480 0.71580 0.49000 1.00000 0.01100
_cod_database_code 9005274